 |
 |
 |
 |
 |
 |
||
 |
 |
 |
 |
 |
| 5 | 1/1 | 返回列表 |
| 查看: 1362 | 回復(fù): 5 | ||
| 當(dāng)前只顯示滿(mǎn)足指定條件的回帖，點(diǎn)擊這里查看本話題的所有回帖 | ||
1xiaohua1木蟲(chóng) (正式寫(xiě)手)
|
[求助]
求一個(gè) linux版本的p4vasp 已有1人參與
|
|
| 各位朋友，由于無(wú)法登錄p4vasp官網(wǎng)，求一個(gè) linux版本的p4vasp 1217467061@qq.com |
回復(fù)此樓» 猜你喜歡
085600材料調(diào)劑 總分330
已經(jīng)有6人回復(fù)
-
歡迎211本科同學(xué)，過(guò)A區(qū)國(guó)家線，A區(qū)非偏遠(yuǎn)一本，交叉學(xué)科課題組
已經(jīng)有30人回復(fù)
-
高分子化學(xué)與物理調(diào)劑
已經(jīng)有17人回復(fù)
-
化學(xué)專(zhuān)業(yè)調(diào)劑
已經(jīng)有6人回復(fù)
-
0703 東華大學(xué) 理學(xué)化學(xué)均過(guò) a 線，總分 281 求調(diào)劑
已經(jīng)有11人回復(fù)
-
材料工程調(diào)劑
已經(jīng)有6人回復(fù)
-
材料學(xué)碩318求調(diào)劑
已經(jīng)有13人回復(fù)
-
08工科求調(diào)劑
已經(jīng)有4人回復(fù)
-
A區(qū)一本交叉課題組，低分調(diào)劑，招收機(jī)械電子信息通信等交叉方向
已經(jīng)有40人回復(fù)
-
070300調(diào)劑一志愿南京大學(xué)化學(xué)專(zhuān)業(yè)，初試273分，有論文有專(zhuān)利有競(jìng)賽，求調(diào)劑B區(qū)211
已經(jīng)有11人回復(fù)
1xiaohua1
木蟲(chóng) (正式寫(xiě)手)
- 應(yīng)助: 0 (幼兒園)
- 金幣: 2036.9
- 紅花: 1
- 帖子: 452
- 在線: 242.1小時(shí)
- 蟲(chóng)號(hào): 1473445
- 注冊(cè): 2011-11-02
- 專(zhuān)業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
送紅花一朵 
4樓2024-10-31 20:54:32
1xiaohua1
木蟲(chóng) (正式寫(xiě)手)
- 應(yīng)助: 0 (幼兒園)
- 金幣: 2036.9
- 紅花: 1
- 帖子: 452
- 在線: 242.1小時(shí)
- 蟲(chóng)號(hào): 1473445
- 注冊(cè): 2011-11-02
- 專(zhuān)業(yè): 凝聚態(tài)物性 II ：電子結(jié)構(gòu)
2樓2024-10-28 16:55:02
rlafite
木蟲(chóng) (正式寫(xiě)手)
- 應(yīng)助: 190 (高中生)
- 金幣: 9896.6
- 紅花: 28
- 沙發(fā): 1
- 帖子: 893
- 在線: 340.5小時(shí)
- 蟲(chóng)號(hào): 4563202
- 注冊(cè): 2016-04-02
- 性別: GG
- 專(zhuān)業(yè): 同步輻射技術(shù)及其應(yīng)用
3樓2024-10-31 00:15:35
rlafite
木蟲(chóng) (正式寫(xiě)手)
- 應(yīng)助: 190 (高中生)
- 金幣: 9896.6
- 紅花: 28
- 沙發(fā): 1
- 帖子: 893
- 在線: 340.5小時(shí)
- 蟲(chóng)號(hào): 4563202
- 注冊(cè): 2016-04-02
- 性別: GG
- 專(zhuān)業(yè): 同步輻射技術(shù)及其應(yīng)用
【答案】應(yīng)助回帖
★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★ ★
1xiaohua1: 金幣+50, ★★★★★最佳答案 2024-11-01 10:32:08
1xiaohua1: 金幣+50, ★★★★★最佳答案 2024-11-01 10:32:08
|
https://pypi.org/project/py4vasp/ Installation We use the poetry dependency manager which takes care of all dependencies and maintains a virtual environment to check the code. If you want to test something in the virtual environment, just use e.g. poetry run jupyter-notebook. We recommend installing py4vasp in a conda environment to resolve issues related to installing mdtraj with pip. To do this please use the following steps. The last step will test whether everything worked conda create --name py4vasp-env python=3.8 git clone git@github.com:vasp-dev/py4vasp.git pip install poetry poetry install conda install -c conda-forge mdtraj poetry run pytest Note that this will install py4vasp into the conda environment. This isolates the code from all packages you have installed in other conda environments. Using poetry makes sure that when you modify the code all the relevant dependencies are tracked. py4vasp core If you want to use py4vasp to develop your own scripts, you may want to limit the amount of external dependencies. To this end, we provide alternative configuration files that only install numpy, h5py, and the development dependencies. To install this core package replace the configurations files in the root folder with the ones in the core folder cp core/* . Then you can install py4vasp with the same steps as above. Alternatively, since py4vasp-core does not use mdtraj, you can also install everything in a virtual environment mangaged by poetry pip install poetry poetry install poetry run pytest Note that some tests will be skipped because they require the external packages to run. If you want to exclude even the development dependencies, you can run poetry install --without dev for the minimal installation. Code style Code style is enforced, but is not something the developer should spend time on, so we decided on using black and isort. Please run black src tests isort src tests before committing the code. This will autoformat your code and sort the import statements in a consistent order. If you would like this code formatting to be done along with each commit, you can run pre-commit install Contributing to py4vasp We welcome contributions to py4vasp. To improve the code please follow this workflow Create an issue for the bugfix or feature you plan to work on, this gives the option to provide some input before work is invested. Implement your work in a fork of the repository and create a pull request for it. Please make sure to test your code thoroughly and commit the tests in the pull request in the tests directory. In the message to your merge request mention the issue the code attempts to solve. We will try to include your merge request rapidly when all the tests pass and your code is covered by tests. Please limit the size of a pull request to approximately 200 lines of code otherwise reviewing the changes gets unwieldy. Prefer splitting the work into multiple smaller chunks if necessary. |
» 本帖已獲得的紅花（最新10朵）
5樓2024-11-01 00:33:34
| 最具人氣熱帖推薦 [查看全部] | 作者 | 回/看 | 最后發(fā)表 | |
|---|---|---|---|---|
|
[考研] 化學(xué)專(zhuān)業(yè)調(diào)劑 +5 | 好好好1233 2026-03-04 | 6/300 |
|
|---|---|---|---|---|
|
|
[考研] 08工科求調(diào)劑 +3 | 隆LLL 2026-03-06 | 4/200 |
|
|
[考研] 085602高分子方向求調(diào)劑 +7 | tlgudy 2026-03-04 | 7/350 |
|
|
|
[考研] 材料調(diào)劑 +3 | ounce. 2026-03-05 | 11/550 |
|
|
|
[考研] 招調(diào)劑 +10 | 帆船哥 2026-03-04 | 12/600 |
|
|
|
[考研] 一志愿武理085601專(zhuān)碩347分求調(diào)劑 +4 | 啊歐歐歐 2026-03-04 | 5/250 |
|
|
|
[考研] 304求調(diào)劑 +4 | 曼殊2266 2026-03-05 | 4/200 |
|
|
|
[考研] 一志愿南京大學(xué)資源與環(huán)境專(zhuān)業(yè)283分求調(diào)劑 +3 | 追云?? 2026-03-04 | 3/150 |
|
|
|
[考研] 0856材料求調(diào)劑 +17 | hyf hyf hyf 2026-02-28 | 18/900 |
|
|
|
[考研] 266求調(diào)劑 +7 | 哇塞王帥 2026-03-03 | 7/350 |
|
|
|
[考研] 0703化學(xué)求調(diào)劑，總分320分，一志愿中南民族大學(xué) +3 | 19286712440 2026-03-04 | 3/150 |
|
|
|
[考研] 0855機(jī)械工程324求調(diào)劑 +3 | 鄭SK 2026-03-02 | 7/350 |
|
|
|
[考研] 266材料化工求調(diào)劑 +3 | 哇塞王帥 2026-03-03 | 3/150 |
|
|
|
[考研] 求調(diào)劑 +4 | Guo_yuxuan 2026-03-02 | 5/250 |
|
|
|
[考研] 材料工程求調(diào)劑 +3 | 1431251 2026-03-03 | 3/150 |
|
|
|
[考研] 化工335求調(diào)劑 +5 | 摸摸貓貓頭 2026-03-02 | 5/250 |
|
|
|
[考研] 11408，學(xué)碩276求調(diào)劑 +3 | 崔wj 2026-03-02 | 5/250 |
|
|
|
[考研] 材料284求調(diào)劑，一志愿鄭州大學(xué)英一數(shù)二專(zhuān)碩 +15 | 想上岸的土撥鼠 2026-02-28 | 15/750 |
|
|
|
[考研] 材料工程274求調(diào)劑 +5 | Lilithan 2026-03-01 | 5/250 |
|
|
|
[考研] 290求調(diào)劑 +9 | 材料專(zhuān)碩調(diào)劑； 2026-02-28 | 11/550 |
|